Geometry & MOs

Info

ID:	242484
PubChem CID:	96100345
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-7.07
Dipole, Da:	5.6
IP(EA), eV:	-9.22(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1S)-1-hydroxyethyl]imidazo[4,5-b]pyridin-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2C[C@@H]2C(=O)N3CCO[C@@H](C3)C4=NNC(=N4)C

DOS

IR

Vibrations